Compound Detail
CHEMBL1289227
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Basic Information
| ChEMBL ID | CHEMBL1289227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBWAYPHCJJARIX-RIYZIHGNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
3.24
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL3334 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL1293198 | IC50 | 5.62 | 5.62 | 2390.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 2990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 1... | 21055929 |
| Prostaglandin G/H synthase 2 | IC50 | = | 2390.0 | nM | 5.62 | Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 1... | 21055929 |
| Unchecked | IC50 | = | 2990.0 | nM | 5.52 | Inhibition of 5-LOX in rabbit peripheral venous blood assessed as formation of L... | 21055929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Rattus norvegicus | 4 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Unchecked | 2 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Prostaglandin G/H synthase 1 | 1 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Prostaglandin G/H synthase 2 | 1 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine